SCHEMBL874798

SCHEMBL874798

COC(=O)CSc1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GLA P06280 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 7/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 3/20 0.51
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 2/20 0.49
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15426812 0.85 MAPT (0.55) MAPTGAAKDM4EGLACYP1A2
SCHEMBL6239095 0.83 MAPT (0.54) MAPTGAAKDM4EGLACYP1A2
SCHEMBL2300941 0.82 ALDH1A1 (0.52) MAPTGAAKDM4ECYP1A2CYP3A4
SCHEMBL22614919 0.82 HTT (0.48) MAPTKDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL2378422 0.81 SMN1; SMN2 (0.59) MAPTGAAKDM4EGLACYP1A2
SCHEMBL3112575 0.81 MAPT (0.53) MAPTGAAKDM4EGLACYP1A2
SCHEMBL15549840 0.81 HSD17B10 (0.57) MAPTGAAKDM4EGLACYP1A2
SCHEMBL6764561 0.81 FFAR1 (0.61) MAPTGAAKDM4EGLACYP1A2
SCHEMBL29249448 0.81 MAPT (0.56) MAPTGAAKDM4EGLACYP1A2
SCHEMBL3892024 0.81 ALDH1A1 (0.46) MAPTGAAKDM4EGLACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3187488-B1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVE AND USE THEREOF CJ HEALTHCARE CORP (KR) 2020-02-19 EP disclosed
EP-3187488-A1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVE AND USE THEREOF CJ Healthcare Corporation (KR) 2017-07-05 EP disclosed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
CN-103228634-A Matrix metalloproteinase inhibitors RANBAXY LAB LTD 2013-07-31 CN disclosed
EP-1940781-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-09 EP disclosed
US-7388111-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-06-17 US disclosed
WO-2007045573-A1 PHENYL-ACETAMIDE NNRT INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 WO disclosed
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2007-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070088053-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, QTRT1, RTF1 MAPT 1773/4885GAA 943/4885KDM4E 685/4885
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 MAPT 2663/4885GAA 385/4885KDM4E 4398/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.